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DOE OSTI2015

TASK 3: PILOT PLANT GASIFIER TESTING

Aerojet Rocketdyne (AR) has developed an innovative gasifier concept incorporating advanced technologies in ultra-dense phase dry feed system, rapid mix injector, and advanced component cooling to significantly improve gasifier performance, life, and cost compared to commercially available state-of-the-art systems. Design, fabrication and initial testing of the pilot plant compact gasifier was completed in 2011 by a development team led by AR. Findings from this initial test program, as well as subsequent gasifier design and pilot plant testing by AR, identified a number of technical aspects to address prior to advancing into a demonstration-scale gasifier design. Key among these were an evaluation of gasifier ability to handle thermal environments with highly reactive coals; ability to handle high ash content, high ash fusion temperature coals with reliable slag discharge; and to develop an understanding of residual properties pertaining to gasification kinetics as carbon conversion approaches 99%. The gasifier did demonstrate the ability to withstand the thermal environments of highly reactive Powder River Basin coal, while achieving high carbon conversion in < 0.15 seconds residence time. Continuous operation with the high ash fusion temperature Xinyuan coal was demonstrated in long duration testing, validating suitability of outlet design as well as downstream slag discharge systems. Surface area and porosity data were obtained for the Xinyuan and Xinjing coals for carbon conversion ranging from 85% to 97%, and showed a pronounced downward trend in surface area per unit mass carbon as conversion increased. Injector faceplate measurements showed no incremental loss of material over the course of these experiments, validating the commercially traceable design approach and supportive of long injector life goals. Hybrid testing of PRB and natural gas was successfully completed over a wide range of natural gas feed content, providing test data to anchor predictions for commercial operation of hybrid coal/natural gas gasification plants.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2015

Results for Phase I of the IAEA Coordinated Research Program on HTGR Uncertainties

The quantification of uncertainties in design and safety analysis of reactors is today not only broadly accepted, but in many cases became the preferred way to replace traditional conservative analysis for safety and licensing analysis. The use of a more fundamental methodology is also consistent with the reliable high fidelity physics models and robust, efficient, and accurate codes available today. To facilitate uncertainty analysis applications a comprehensive approach and methodology must be developed and applied. High Temperature Gas-cooled Reactors (HTGR) has its own peculiarities, coated particle design, large graphite quantities, different materials and high temperatures that also require other simulation requirements. The IAEA has therefore launched a Coordinated Research Project (CRP) on the HTGR Uncertainty Analysis in Modeling (UAM) in 2013 to study uncertainty propagation specifically in the HTGR analysis chain. Two benchmark problems are defined, with the prismatic design represented by the General Atomics (GA) MHTGR-350 and a 250 MW modular pebble bed design similar to the HTR-PM (INET, China). This report summarizes the contributions of the HTGR Methods Simulation group at Idaho National Laboratory (INL) up to this point of the CRP. The activities at INL have been focused so far on creating the problem specifications for the prismatic design, as well as providing reference solutions for the exercises defined for Phase I. An overview is provided of the HTGR UAM objectives and scope, and the detailed specifications for Exercises I-1, I-2, I-3 and I-4 are also included here for completeness. The main focus of the report is the compilation and discussion of reference results for Phase I (i.e. for input parameters at their nominal or best-estimate values), which is defined as the first step of the uncertainty quantification process. These reference results can be used by other CRP participants for comparison with other codes or their own reference results. The status on the Monte Carlo modeling of the experimental VHTRC facility is also discussed. Reference results were obtained for the neutronics stand-alone cases (Ex. I-1 and Ex. I-2) using the (relatively new) Monte Carlo code Serpent, and comparisons were performed with the more established Monte Carlo codes MCNP and KENO-VI. For the thermal-fluids stand-alone cases (Ex. I-3 and I-4) the commercial CFD code CFX was utilized to obtain reference results that can be compared with lower fidelity tools.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2013

Time bomb or hidden treasure? Characteristics of junk TVs and of the US households who store them

Highlights: ► US households are storing 84.1 million broken or obsolete (junk) TVs. ► They represent 2.12 million metric tons of scrap. ► The value of these materials is approximately $21 per TV. ► Our count models characterize US households who store junk TVs. ► Our results are useful for designing more effective TV recycling programs. - Abstract: Within the growing stockpile of electronic waste (e-waste), TVs are especially of concern in the US because of their number (which is known imprecisely), their low recycling rate, and their material content: cathode ray tube televisions contain lead, and both rear projection and flat panel displays contain mercury, in addition to other potentially toxic materials. Based on a unique dataset from a 2010 survey, our count models show that pro-environmental behavior, age, education, household size, marital status, gender of the head of household, dwelling type, and geographic location are statistically significant variables for explaining the number of broken or obsolete (junk) TVs stored by US households. We also estimate that they are storing approximately 84.1 million junk TVs, which represents 40 pounds of scrap per household. Materials in each of these junk TVs are worth $21 on average at January 2012 materials prices, which sets an upper bound on collecting and recycling costs. This information should be helpful for developing more effective recycling strategies for TVs in the e-waste stream.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

A WM Facility for the Processing of Radioactive Materials Arising from the Decommissioning Activities of the Belgian Nuclear Power Plant of Doel - 16042

Doel Nuclear Power Plant is located in the northern part of Belgium in the harbour of Antwerp on the Scheldt River. On this 80-hectare site Electrabel, the Belgian utility, operates four PWRs with a total generation capacity of 2911 MWe. Those nuclear power units were commissioned in 1975 (Doel 1 and 2 - twin units), in 1982 (Doel 3) and in 1985 (Doel 4). In light of the Belgian governments decision to definitively shutdown the oldest units of the site (Doel 1 and 2 - 433 MWe each) in 2015 at the end of their 40-year design lifetime, Electrabel launched a D and D program in partnership with Tractebel Engineering in July 2012. During the D and D preparation phase prior to the final shutdown, studies performed by Tractebel Engineering showed the added benefit of a purpose-built Waste Management Facility (WMF) specifically equipped to process contaminated and activated components generated by the in-situ dismantling activities. The WMF is a key infrastructure contributing to a large extent to the Waste Minimization Policy within the global D and D program. The present paper aims at presenting its strategic, logistic, infra-structural, and design principles. At the end of 2014, the Belgian government and Electrabel entered into discussions to envisage a 10-year lifetime extension of Doel 1 and 2 units. Therefore, Electrabel decided to put the D and D program on hold. Nevertheless, the preparatory studies for the future D and D activities on Doel site are set on solid assumptions and pave the way towards a safe, cost-effective and waste minimizing decommissioning process. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Final report on assessment of molten salt corrosion testing of unirradiated and ion irradiated advanced manufactured high entropy alloys

Generation IV reactors and future fusion reactor designs have led to more demanding materials performance requirements due to their increased operating temperatures, corrosive coolants, and increased radiation doses compared to the current light-water reactor fleet. Among the innovative nuclear technologies under development, molten salt reactors stand out for their potential to offer superior fuel utilization, intrinsic safety characteristics, and economic viability. Of the proposed Generation IV designs, the gas fast reactor operates at 450 to 850°C and the molten salt reactor operates at 565 to 850°C, with the molten salt reactor design needing molten salt corrosion resistant materials [1, 2]. These increased temperatures and more extreme corrosion environments necessitate higher material performance, such as creep strength, radiation-tolerant microstructures, corrosion resistance, and high-temperature tensile properties. Hastelloy-N, a nickel-based alloy with additions of molybdenum and chromium, has been successfully employed to contain molten fluoride salt at temperatures up to 705°C. However, Hastelloy-N becomes embrittled upon neutron irradiation, primarily due to the accumulation of helium produced by (n,a) transmutation reactions. Furthermore, the corrosive nature of molten fluoride and chloride salts presents a formidable challenge, as these salts can react with and dissolve alloying elements such as Cr, Mo, and Fe, leading to selective leaching, loss of protective oxide layers, and accelerated degradation. High entropy alloys (HEAs) and refractory high entropy alloys (RHEAs) have emerged as a prominent area of interest, due to their ability to achieve tailored chemical compositions for specific applications. Unlike conventional alloys, HEAs are characterized by having multiple principal elements in equimolar or near equimolar ratios, leading to an unconventional alloying strategy [3]. This alloying strategy is believed to promote unique properties, such as single-phase stabilization of chemically compatible elements, lattice distortion effects due to atomic radius differences, and proposed sluggish diffusion effects. For extreme-environment applications, RHEAs have garnered much research interest because of the possibility of creating relatively ductile materials that can operate in extremely high-temperature environments, beyond the operating temperatures where other Ni-based superalloys begin to lose strength [4-6]. Idaho National Laboratory (INL) initiated a joint international effort with the Czech Republic to explore the feasibility of manufacturing HEAs for high-temperature nuclear applications using advanced manufacturing. This effort was funded at INL by the United States Department of Energy's Office of Nuclear Energy under the Advanced Reactor Technologies and Advanced Materials and Manufacturing Technologies (AMMT) Program. The HEAs were specifically designed for the corrosive and irradiation environments experienced in gas-cooled fast reactors, molten salt reactors, and fusion power. These alloys have been manufactured by multiple processes to determine the impact of manufacturing processes on the performance of the alloys in corrosive and irradiation environments. Preliminary molten salt corrosion testing showed that equimolar MoNbTiV and MoNbTi alloys exhibit exceptional performance, with arc-melted variants demonstrating only minimal degradation after 1000 hours of exposure to molten chloride salt at 700°C. Conversely, Nb2TiVZr2 showed significant molten salt corrosion susceptibility and microstructural instability during high-temperature molten salt exposures, and was, therefore deemed unfit for molten salt reactor applications. The MoNbTiV, MoNbTi, and Nb2TiVZr2 alloys were further evaluated through ion irradiation experiments conducted at the Michigan Ion Beam Laboratory at the University of Michigan. The microstructural stability and the evolution of irradiation-induced defects were characterized to assess the irradiation resistance of each of these alloys.

36 - MATERIALS SCIENCE↗

DOE OSTI2021

Cyber Threat Assessment Methodology for Autonomous and Remote Operations for Advanced Reactors (Conference Presentation)

The next generation of Advanced Reactors include planned capabilities for both Autonomous (operating without human interaction for a set period-of-time) and Remote (operating with human interaction from a separate physical location) Operations. Existing Nuclear Reactor architectures include a set of safety and security constraints tightly coupled with personnel policies and procedures. As Advanced Reactors are fielded with these new Autonomous and Remote operational capabilities, the architectures and associated infrastructure services and components will perceivably expand the overall attack surface and risk calculations with regards to safe and secure operations. This paper is part of an FY21 work program focused on ensuring Advanced Reactor designs are informed with threat-based guidance on design and operation of Secure Architectures with a specific focus on the deployment of Autonomous Systems in support of Advanced Reactor Operations. The next phase of this research program is to complement produce a methodology for assessment of the cyber threat against these architectures as well as a catalogue of Use Cases to support the Advanced Reactor community in their implementation of Autonomous and Remote Operations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2011

Status of the mechanical design of the 650 MHz cavities for Project X

In the high-energy section of the Project X Linac, acceleration of H{sup -} ions takes place in superconducting cavities operating at 650 MHz. Two families of five-cell elliptical cavities are planned: beta = 0.61 and beta = 0.9. A specific feature of the Project X Linac is low beam loading, and thus, low bandwidth and higher sensitivity to microphonics. Efforts to optimize the mechanical design of the cavities to improve their mechanical stability in response to the helium bath pressure fluctuations will be presented. These efforts take into account constraints such as cost and ease of fabrication. Also discussed will be the overall design status of the cavities and their helium jackets. The proposed design of the 3 GeV Project X superconducting (SC) Linac employs 650 MHz five-cell elliptical cavities to accelerate 1.0 mA of average H-beam current in the 160-3000 MeV energy range. The 650 MHz region of the Linac is divided into two sections with two different geometric phase velocity factors: beta = 0.61 to cover the 160-520 MeV range and beta = 0.9 to cover the 520-3000 MeV range. Approximately 40 beta = 0.61 and 150 beta = 0.9 cavities are currently planned for the project. An R&D program is in progress at FNAL, in collaboration with TJNAF and India, to develop the 650 MHz cavities for the proposed Linac design. This R&D program includes the design and fabrication of several beta = 0.61 and beta = 0.9 single-cell prototypes for evaluation prior to production of the five-cell cavities. FNAL has contracted AES to fabricate the beta = 0.9 prototypes, while TJNAF is building beta = 0.61 prototypes of their own design. In the remainder of this paper we will restrict our discussion to the five-cell beta = 0.9 cavities.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Comparative evaluation of analogue front-end designs for the CMS Inner Tracker at the High Luminosity LHC

The CMS Inner Tracker, made of silicon pixel modules, will be entirely replaced prior to the start of the High Luminosity LHC period. One of the crucial components of the new Inner Tracker system is the readout chip, being developed by the RD53 Collaboration, and in particular its analogue front-end, which receives the signal from the sensor and digitizes it. Three different analogue front-ends (Synchronous, Linear, and Differential) were designed and implemented in the RD53A demonstrator chip. A dedicated evaluation program was carried out to select the most suitable design to build a radiation tolerant pixel detector able to sustain high particle rates with high efficiency and a small fraction of spurious pixel hits. The test results showed that all three analogue front-ends presented strong points, but also limitations. The Differential front-end demonstrated very low noise, but the threshold tuning became problematic after irradiation. Moreover, a saturation in the preamplifier feedback loop affected the return of the signal to baseline and thus increased the dead time. The Synchronous front-end showed very good timing performance, but also higher noise. For the Linear front-end all of the parameters were within specification, although this design had the largest time walk. This limitation was addressed and mitigated in an improved design. The analysis of the advantages and disadvantages of the three front-ends in the context of the CMS Inner Tracker operation requirements led to the selection of the improved design Linear front-end for integration in the final CMS readout chip.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Compare Mechanistic Predictions for Doped UO 2 Mechanical Response and Other Properties with Empirical Models and Experimental Measurements

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program develops predictive capabilities using computational methods for the analysis and design of advanced reactor and fuel cycle systems. This program has been supporting the development of BISON, a high-fidelity, high resolution fuel performance tool at the engineering scale. As part of its development, additional modeling capabilities and improvements have been developed for relevant fuel forms. In this work, a fuel creep deformation model for Cr-doped fuel has been implemented into BISON, along with improvements to the empirical UO 2 fuel creep model based on experimental data and improvements to the radial power factor calculation for doped fuels. This work allows for more accurate simulation analyses for both UO 2 and doped-UO 2 fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Brookfield Homes Passive House Performance Evaluation

In 2012-2013, IBACOS worked with a builder, Brookfield Homes in Denver, Colorado, to design and construct a Passive House certified model home. IBACOS used several modeling programs and calculation methods to complete the final design package along with Brookfield's architect KGA Studio. This design package included upgrades to the thermal enclosure, basement insulation, windows, and heating, ventilation, and air conditioning. Short-term performance testing in the Passive House was done during construction and after construction. Testing with a blower door indicated that whole-building air leakage to the outside was 324 CFM and 0.60 ACH50. The other two test homes had little short-term testing done post-construction by the local energy rater. IBACOS then monitored the energy consumption and whole-house comfort conditions of that occupied Passive House after one year of operation and compared the monitoring results to those for two other occupied test houses in the same area with similar square footage but slightly different floor plans. IBACOS also assisted the builder, Brookfield Homes, in researching design scenarios for Zero Energy Ready Home and ENERGY STAR acceptance levels. IBACOS also assisted Brookfield in conceptualizing product for Denver's Brighton Heights area. Brookfield was considering building to Zero Energy Ready Home standards in that location. IBACOS provided strategies that Brookfield may draw from in the event the builder chooses to pursue a Zero Energy Ready Home plan for that market.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Brookfield Homes Passive House Performance Evaluation

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2012

A Case Study: Using Integrated Approach to Design a Net-Zero Bank Branch

This paper describes a real life project conducted by the Pacific Northwest National Laboratory and PNC Financial Services Group's design team. This is a demonstration project supported by the U.S. Department of Energy's Commercial Partnerships Program, the goal of which is to design and construct a new-zero energy bank branch in Fort Lauderdale, Florida.

Athalye, Rahul A↗

DOE OSTI2017

Systems Engineering Model for ART Energy Conversion

The near-term objective of the EC team is to establish an operating, commercially scalable Recompression Closed Brayton Cycle (RCBC) to be constructed for the NE - STEP demonstration system (demo) with the lowest risk possible. A systems engineering approach is recommended to ensure adequate requirements gathering, documentation, and mode ling that supports technology development relevant to advanced reactors while supporting crosscut interests in potential applications. A holistic systems engineering model was designed for the ART Energy Conversion program by leveraging Concurrent Engineering, Balance Model, Simplified V Model, and Project Management principles. The resulting model supports the identification and validation of lifecycle Brayton systems requirements, and allows designers to detail system-specific components relevant to the current stage in the lifecycle, while maintaining a holistic view of all system elements.

42 ENGINEERING↗

DOE OSTI2019

Establishing a Platform for Interest and Education in Interventional Radiology Amongst Radiology Trainees

Purpose: Over recent times, procedural Radiologists have begun to establish themselves as the distinct subspecialty of Interventional Radiology (IR). The Interventional Radiology Society of Australasia (IRSA) was established in 1982 to share collaborative ideas, encourage research, and promote education. IRSA developed a weekend registrar workshop attended by Radiology Registrars from Australia and New Zealand. In the 2018 event, we surveyed the Registrars to identify their interest in IR training before and after the workshop. Materials and Methods: The event was held over a weekend and consisted of both lectures and hands-on workshops. A survey was handed to all 67 registrants of the workshop and there was a 55% response rate including 78% of females in attendance. Results: Before the workshop, trainees rated their interest in IR training at a mean of 3.7 out of 5. After the workshop, trainees rated their interest in IR training as an average of 4.4 out of 5 (p < 0.001). The difference in interest between males and females before the workshop (4.0 vs. 3.1) was significant (p = 0.003), however after the workshop (4.5 vs. 4.1) was not significant (p = 0.07). The change in interest from attending the workshop was significant between genders, p = 0.03 (male interest increased mean 0.5, female increased mean 1.0). Conclusion: We show that a program of lectures and workshops designed to generate interest in IR leads to a significant increase in training interest, particularly amongst females. Other subspecialty groups should consider this type of intervention and promote ongoing education and inspiration. Level of Evidence: Cross-sectional study, Level IV.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2025

A matheuristic for design and dispatch of a utility-connected distributed energy system

Modeling distributed power generation systems often requires complicated mathematical expressions that present challenges for commercial optimization solvers. Here, this paper presents a matheuristic to solve a mixed-integer optimization model that informs decisions regarding the design and dispatch of a utility-connected microgrid. We deploy a genetic algorithm to search the system design space and a linear program to solve the economic dispatch problem. The model is a component of a web tool that requires solutions within a few minutes. Our method yields objective function values within 5% of an exogenously produced optimal in fewer than 30 seconds for 90% of our test cases compared to only 10% of our test cases by a traditional optimization solver in the same amount of time.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

Automatic generation and simulation of urban building energy models based on city datasets for city-scale building retrofit analysis

Buildings in cities consume 30–70% of total primary energy, and improving building energy efficiency is one of the key strategies towards sustainable urbanization. Urban building energy models (UBEM) can support city managers to evaluate and prioritize energy conservation measures (ECMs) for investment and the design of incentive and rebate programs. This paper presents the retrofit analysis feature of City Building Energy Saver (CityBES) to automatically generate and simulate UBEM using EnergyPlus based on cities’ building datasets and user-selected ECMs. CityBES is a new open web-based tool to support city-scale building energy efficiency strategic plans and programs. The technical details of using CityBES for UBEM generation and simulation are introduced, including the workflow, key assumptions, and major databases. Also presented is a case study that analyzes the potential retrofit energy use and energy cost savings of five individual ECMs and two measure packages for 940 office and retail buildings in six city districts in northeast San Francisco, United States. The results show that: (1) all five measures together can save 23–38% of site energy per building; (2) replacing lighting with light-emitting diode lamps and adding air economizers to existing heating, ventilation and air-conditioning (HVAC) systems are most cost-effective with an average payback of 2.0 and 4.3 years, respectively; and (3) it is not economical to upgrade HVAC systems or replace windows in San Francisco due to the city's mild climate and minimal cooling and heating loads. Furthermore, the CityBES retrofit analysis feature does not require users to have deep knowledge of building systems or technologies for the generation and simulation of building energy models, which helps overcome major technical barriers for city managers and their consultants to adopt UBEM.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Logical design of anti-prion agents using NAGARA

To accelerate the logical drug design procedure, we created the program “NAGARA,” a plugin for PyMOL, and applied it to the discovery of small compounds called medical chaperones (MCs) that stabilize the cellular form of a prion protein (PrP{sup C}). In NAGARA, we constructed a single platform to unify the docking simulation (DS), free energy calculation by molecular dynamics (MD) simulation, and interfragment interaction energy (IFIE) calculation by quantum chemistry (QC) calculation. NAGARA also enables large-scale parallel computing via a convenient graphical user interface. Here, we demonstrated its performance and its broad applicability from drug discovery to lead optimization with full compatibility with various experimental methods including Western blotting (WB) analysis, surface plasmon resonance (SPR), and nuclear magnetic resonance (NMR) measurements. Combining DS and WB, we discovered anti-prion activities for two compounds and tegobuvir (TGV), a non-nucleoside non-structural protein NS5B polymerase inhibitor showing activity against hepatitis C virus genotype 1. Binding profiles predicted by MD and QC are consistent with those obtained by SPR and NMR. Free energy analyses showed that these compounds stabilize the PrP{sup C} conformation by decreasing the conformational fluctuation of the PrP{sup C}. Because TGV has been already approved as a medicine, its extension to prion diseases is straightforward. Finally, we evaluated the affinities of the fragmented regions of TGV using QC and found a clue for its further optimization. By repeating WB, MD, and QC recursively, we were able to obtain the optimum lead structure. - Highlights: • NAGARA integrates docking simulation, molecular dynamics, and quantum chemistry. • We found many compounds, e.g., tegobuvir (TGV), that exhibit anti-prion activities. • We obtained insights into the action mechanism of TGV as a medical chaperone. • Using QC, we obtained useful information for optimization of the lead compound, TGV. • NAGARA is a convenient platform for drug discovery and lead optimization.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Finding a natural rhythm

Paul J. Dauenhauer describes the mathematical basis for designing dynamic catalysts that are programmed to change with time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗